SEQ2FUN

BioLiP

PDB CCD ID: 4NQ
Number of entries in BioLiP: 1
Chemical formula: C18 H25 N O
InChI: InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
InChIKey: MKXZASYAUGDDCJ-NJAFHUGGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1
OpenEye OEToolkits 3.1.0.0CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4c3cc(cc4)OC
ACDLabs 14.52COc1ccc2CC3C4CCCCC4(CCN3C)c2c1
OpenEye OEToolkits 3.1.0.0CN1CCC23CCCCC2C1Cc4c3cc(cc4)OC
CACTVS 3.385COc1ccc2C[CH]3[CH]4CCCC[C]4(CCN3C)c2c1
Name:Dextromethorphan;
3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan
ChEMBL: CHEMBL52440
DrugBank: DB00514
ZINC: ZINC000003201907
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).